3-Ethyl-2,4,6-trinitrophenol
Basic information
- CAS
19036-79-4- Standard SMILES
CCc1c([N+](=O)[O-])cc([N+](=O)[O-])c(O)c1[N+](=O)[O-]- InChIKey
JIDBZOKWLMCPMG-UHFFFAOYSA-N- Molecular formula
- C8H7N3O7
- Average molar mass
- 257.16 g/mol
- Monoisotopic mass
- 257.02839957
Names & identifiers
- Preferred name
- 3-Ethyl-2,4,6-trinitrophenol
- IUPAC
- 3-ethyl-2,4,6-trinitrophenol
Names & synonyms
3-ethyl-2,4,6-trinitrophenol19036-79-4DTXSID10278935RefChem:279112DTXCID90230091Phenol,3-ethyl-2,4,6-trinitro-NSC10723phenol, 3-ethyl-2,4,6-trinitro-NSC-10723DS-012200
Database identifiers
- CAS
19036-79-4- PubChem CID
- 223255
- DTXSID
DTXSID10278935- Nikkaji
- J1.426.640B
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 158 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 1
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 357
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Related reactions
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Compound notes
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